1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone

C23H26N10O2 — CID 66788921

IUPAC1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(Nc2nc3ccc(N4CCN(C(C)=O)CC4)cn3c2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C23H26N10O2/c1-14-26-21(30-23(24)27-14)20-22(28-16-4-7-19(35-3)25-12-16)29-18-6-5-17(13-33(18)20)32-10-8-31(9-11-32)15(2)34/h4-7,12-13,28H,8-11H2,1-3H3,(H2,24,26,27,30)
InChIKeyUJBKNKNSVOMOOX-UHFFFAOYSA-N
MW474.53 g/mol
LogP1.89
Rot. Bonds5

About 1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone

1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone (PubChem CID 66788921) has the molecular formula C23H26N10O2 and a molecular weight of 474.53 g/mol. Its IUPAC name is 1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone
PubChem CID66788921
Molecular FormulaC23H26N10O2
Molecular Weight474.53 g/mol
Exact Mass474.22
IUPAC Name1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(Nc2nc3ccc(N4CCN(C(C)=O)CC4)cn3c2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C23H26N10O2/c1-14-26-21(30-23(24)27-14)20-22(28-16-4-7-19(35-3)25-12-16)29-18-6-5-17(13-33(18)20)32-10-8-31(9-11-32)15(2)34/h4-7,12-13,28H,8-11H2,1-3H3,(H2,24,26,27,30)
InChIKeyUJBKNKNSVOMOOX-UHFFFAOYSA-N
XLogP1.89
TPSA139.69 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.53
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-Methoxy-6,7-Dimethyl-9-(4-Methylpyridin-3-Yl)imidazo[1,5-A]pyrido[3,2-E]pyrazine
CID 42629702
2-[3-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 66788835
N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxamide
CID 122648600
7-(4-Benzylpiperazin-1-yl)-12-methoxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10667071
6-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-N-piperidin-4-ylpyridin-2-amine
CID 25169380
12-Methoxy-5,7-dimethyl-3-pyridin-3-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 42629350
12-Methoxy-3-(2-methoxy-3-pyridinyl)-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 42629699
2-Methoxy-9-(4-methoxypyridin-3-yl)-6,7-dimethylimidazo[1,5-a]pyrido[3,2-e]pyrazine
CID 42629700
2-Methoxy-6,7-dimethyl-9-pyrimidin-5-ylimidazo[1,5-a]pyrido[3,2-e]pyrazine
CID 42629821
6-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-N-piperidin-4-ylpyridin-2-amine
CID 44449000
4-(2-(6-Methoxypyridin-3-ylamino)-5-(morpholinomethyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 49785083
4-[2-[(6-Methoxy-3-pyridinyl)amino]-5-(piperazin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 49785828

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone (CID 66788921) is 1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone is COc1ccc(Nc2nc3ccc(N4CCN(C(C)=O)CC4)cn3c2-c2nc(C)nc(N)n2)cn1.
What is the InChIKey of 1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone?
The InChIKey is UJBKNKNSVOMOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N10O2/c1-14-26-21(30-23(24)27-14)20-22(28-16-4-7-19(35-3)25-12-16)29-18-6-5-17(13-33(18)20)32-10-8-31(9-11-32)15(2)34/h4-7,12-13,28H,8-11H2,1-3H3,(H2,24,26,27,30).
What are the key properties of 1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone?
1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone has a molecular weight of 474.53 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 66788921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).